7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-pyrrolidino-xanthine Formula: C19H22ClN5O4 MolecularWeight: 419.86208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C19H22ClN5O4/c1-23-16-15(17(27)22-19(23)28)25(18(21-16)24-8-2-3-9-24)10-13(26)11-29-14-6-4-12(20)5-7-14/h4-7,13,26H,2-3,8-11H2,1H3,(H,22,27,28)